ethyl 3-methyl-4-[2-[phenylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-methyl-4-[2-[phenylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[N-(benzenesulfonyl)-4-isopropyl-anilino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(N-besyl-4-isopropyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C27H30N2O5S/c1-5-34-27(31)22-13-16-25(20(4)17-22)28-26(30)18-29(23-14-11-21(12-15-23)19(2)3)35(32,33)24-9-7-6-8-10-24/h6-17,19H,5,18H2,1-4H3,(H,28,30)